SCHEMBL28147149

SCHEMBL28147149

Cc1cc(C)cc(-n2cnc(-c3ccccc3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
NLRP3 Q96P20 1/20 0.61
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A3 P47895 2/20 0.41
SLC2A1 P11166 1/20 0.41
MAPT P10636 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18122023 0.87 RAB9A (0.58) NPC1RAB9ANLRP3KDM4EALDH1A1
SCHEMBL15034499 0.86 NPC1 (0.71) NPC1RAB9ANLRP3KDM4EALDH1A1
SCHEMBL27920194 0.84 RAB9A (0.46) NPC1RAB9ANLRP3KDM4EALDH1A1
SCHEMBL10775340 0.83 NPC1 (0.77) NPC1RAB9ANLRP3KDM4EALDH1A1
SCHEMBL27920253 0.83 RAB9A (0.44) NPC1RAB9ANLRP3KMT2ASMN1; SMN2
SCHEMBL28281915 0.81 ALDH1A3 (0.46) NPC1RAB9ANLRP3KDM4EALDH1A1
SCHEMBL17279832 0.80 RAB9A (0.67) NPC1RAB9ANLRP3KDM4EALDH1A1
SCHEMBL28692512 0.77 NPC1 (0.68) NPC1RAB9ANLRP3KMT2ATSHR
SCHEMBL6263490 0.77 RAB9A (0.58) NPC1RAB9ANLRP3KDM4EALDH1A1
SCHEMBL27584245 0.76 NPC1 (0.71) NPC1RAB9ANLRP3KMT2AMAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103261351-B Pressure-sensitive adhesive composition for optical film, pressure-sensitive adhesive layer for optical film, pressure-sensitive adhesive optical film, and image display device 日东电工株式会社 2017-05-17 CN disclosed